N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide

C18H33N3 — CID 123384239

IUPACN'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide
SMILESC=CCC(=CCC=C(C)C(N)N=CNC(C)CCC)CC
InChIInChI=1S/C18H33N3/c1-6-10-16(5)20-14-21-18(19)15(4)12-9-13-17(8-3)11-7-2/h7,12-14,16,18H,2,6,8-11,19H2,1,3-5H3,(H,20,21)
InChIKeyYKXHXUCMPXUDRM-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.33
Rot. Bonds11

About N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide

N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide (PubChem CID 123384239) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide.

Molecular Properties

Compound NameN'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide
PubChem CID123384239
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide
SMILESC=CCC(=CCC=C(C)C(N)N=CNC(C)CCC)CC
InChIInChI=1S/C18H33N3/c1-6-10-16(5)20-14-21-18(19)15(4)12-9-13-17(8-3)11-7-2/h7,12-14,16,18H,2,6,8-11,19H2,1,3-5H3,(H,20,21)
InChIKeyYKXHXUCMPXUDRM-UHFFFAOYSA-N
XLogP4.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Nitensidine A
CID 10246147
1,2-Bis(3,7-dimethylocta-2,6-dienyl)guanidine
CID 162820217
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
CID 129294469
ethane;6-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methyl-1,4-dihydropyrimidine
CID 145622515
N-[(Z)-hex-3-en-2-yl]-N'-methylmethanimidamide
CID 156048566
N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide
CID 166872200
N-[(1E,4Z,6R)-6-amino-2,5-diethylhepta-1,4-dienyl]-N'-[(Z)-pent-2-enyl]ethanimidamide
CID 174245731
1,2-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]guanidine
CID 132606932
N'-methyl-N-[(2Z,5Z)-5-methylhepta-2,5-dienyl]methanimidamide
CID 143159793
6-ethyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-4-methyl-1,4-dihydropyrimidine
CID 145622516

Frequently Asked Questions

What is the IUPAC name of N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide?
The IUPAC name of N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide (CID 123384239) is N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide.
What is the SMILES notation for N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide?
The canonical SMILES for N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide is C=CCC(=CCC=C(C)C(N)N=CNC(C)CCC)CC.
What is the InChIKey of N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide?
The InChIKey is YKXHXUCMPXUDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-6-10-16(5)20-14-21-18(19)15(4)12-9-13-17(8-3)11-7-2/h7,12-14,16,18H,2,6,8-11,19H2,1,3-5H3,(H,20,21).
What are the key properties of N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide?
N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide has a molecular weight of 291.48 g/mol, XLogP of 4.33, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-amino-6-ethyl-2-methylnona-2,5,8-trienyl)-N-pentan-2-ylmethanimidamide is sourced from PubChem (CID 123384239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).